[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C23H38N2O4 MolecularWeight: 406.55882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C23H38N2O4/c1-5-18(6-2)24-19(26)13-29-21(27)20(14(3)4)25-22(28)23-10-15-7-16(11-23)9-17(8-15)12-23/h14-18,20H,5-13H2,1-4H3,(H,24,26)(H,25,28)/t15?,16?,17?,20-,23?/m0/s1